6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide

C18H13F2NO4 — CID 86580227

IUPAC6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide
SMILESO=C1c2cc(F)ccc2C(C(=O)NCc2ccc(F)cc2)C(=O)C1O
InChIInChI=1S/C18H13F2NO4/c19-10-3-1-9(2-4-10)8-21-18(25)14-12-6-5-11(20)7-13(12)15(22)17(24)16(14)23/h1-7,14,17,24H,8H2,(H,21,25)
InChIKeyLCVYMHBOTZOBPQ-UHFFFAOYSA-N
MW345.30 g/mol
LogP1.49
Rot. Bonds3

About 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide

6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide (PubChem CID 86580227) has the molecular formula C18H13F2NO4 and a molecular weight of 345.30 g/mol. Its IUPAC name is 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide
PubChem CID86580227
Molecular FormulaC18H13F2NO4
Molecular Weight345.30 g/mol
Exact Mass345.08
IUPAC Name6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide
SMILESO=C1c2cc(F)ccc2C(C(=O)NCc2ccc(F)cc2)C(=O)C1O
InChIInChI=1S/C18H13F2NO4/c19-10-3-1-9(2-4-10)8-21-18(25)14-12-6-5-11(20)7-13(12)15(22)17(24)16(14)23/h1-7,14,17,24H,8H2,(H,21,25)
InChIKeyLCVYMHBOTZOBPQ-UHFFFAOYSA-N
XLogP1.49
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580226
7-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580228
5-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580229
6-chloro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580254
6-bromo-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-tetralin-1-carboxamide
CID 86580255
N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-6-(trifluoromethyl)tetralin-1-carboxamide
CID 86580256
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-(2-hydroxyacetyl)benzamide
CID 58531415
8-acetyl-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,10-dioxo-4,5,6,7,8,8a,9,10a-octahydroanthracene-2-carboxamide
CID 152609042
2-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[[6-[(2S)-1-hydroxypropan-2-yl]-5-oxo-6H-naphthalen-1-yl]methyl]acetamide
CID 154514312
N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]naphthalene-1-carboxamide
CID 163347338

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
The IUPAC name of 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide (CID 86580227) is 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
The canonical SMILES for 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide is O=C1c2cc(F)ccc2C(C(=O)NCc2ccc(F)cc2)C(=O)C1O.
What is the InChIKey of 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
The InChIKey is LCVYMHBOTZOBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO4/c19-10-3-1-9(2-4-10)8-21-18(25)14-12-6-5-11(20)7-13(12)15(22)17(24)16(14)23/h1-7,14,17,24H,8H2,(H,21,25).
What are the key properties of 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide?
6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide has a molecular weight of 345.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(4-fluorophenyl)methyl]-3-hydroxy-2,4-dioxo-1H-naphthalene-1-carboxamide is sourced from PubChem (CID 86580227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).